Project name: ID-523

Chain sequence(s)	A: MESVSPEPLILLRITIHSLAGWIKQHVAHCNVRFWHCADGAWSQLFDAEHFTFPNGKRTTSIPKKV
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.1684
• Maximal score value: 2.5782
• Average score: -0.1174
• Total score value: -7.7502

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.7233
2	E	A	-1.6677
3	S	A	-0.2200
4	V	A	1.6949
5	S	A	0.0644
6	P	A	-0.6265
7	E	A	-1.9127
8	P	A	-0.3015
9	L	A	1.8684
10	I	A	2.5782
11	L	A	2.1959
12	L	A	1.4943
13	R	A	-1.4387
14	I	A	0.3439
15	T	A	0.2419
16	I	A	0.8658
17	H	A	-0.8379
18	S	A	-0.3351
19	L	A	0.1986
20	A	A	0.0257
21	G	A	-0.0797
22	W	A	0.6130
23	I	A	0.1645
24	K	A	-1.8492
25	Q	A	-1.6052
26	H	A	-0.5861
27	V	A	1.0723
28	A	A	0.0957
29	H	A	-0.9120
30	C	A	-0.0276
31	N	A	-1.0384
32	V	A	0.3484
33	R	A	-1.4037
34	F	A	1.3879
35	W	A	1.2787
36	H	A	-0.6398
37	C	A	0.5621
38	A	A	-0.1331
39	D	A	-1.8632
40	G	A	-0.7797
41	A	A	0.0908
42	W	A	0.6210
43	S	A	-0.3116
44	Q	A	-0.9829
45	L	A	1.3909
46	F	A	0.9430
47	D	A	-1.5995
48	A	A	-0.5855
49	E	A	-1.9926
50	H	A	-0.9740
51	F	A	1.7483
52	T	A	0.5800
53	F	A	1.5765
54	P	A	-0.1925
55	N	A	-1.4011
56	G	A	-0.9954
57	K	A	-2.1209
58	R	A	-2.1684
59	T	A	-0.4178
60	T	A	-0.1066
61	S	A	0.1476
62	I	A	1.9274
63	P	A	-0.2016
64	K	A	-2.0589
65	K	A	-1.6903
66	V	A	1.4638